HRID112842

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID8019

2-Methoxyethanol

C3H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID21983658

未命名化合物

HCID178486896

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nc(N3CCc4c(ncn4Cc4ccccc4)C3)[nH]c(=O)c2cc1OC

HCID135723508

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4213f0ee107a42ca83fd3376d50fdda0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[n:26]1[cH:27][n:28][c:29]2[c:34]1[CH2:33][CH2:32][NH:31][CH2:30]2.[CH3:44][O:45][CH2:46][CH2:47][OH:48].[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[Cl:1][c:2]1[nH:3][c:4]2[cH:5][c:6]([O:15][CH3:16])[c:7]([O:13][CH3:14])[cH:8][c:9]2[c:10](=[O:12])[n:11]1.[ClH:17].[ClH:18].[OH2:49]>>[c:2]1([N:31]2[CH2:30][c:29]3[n:28][cH:27][n:26]([CH2:19][c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[c:34]3[CH2:33][CH2:32]2)[n:3][c:4]2[cH:5][c:6]([O:15][CH3:16])[c:7]([O:13][CH3:14])[cH:8][c:9]2[c:10](=[O:12])[nH:11]1